5-[5-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-6-oxidanyl-4-oxidanylidene-2-phenyl-3H-pyran-2-yl]pentanoic acid

Systemtic Name: 5-[5-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-6-oxidanyl-4-oxidanylidene-2-phenyl-3H-pyran-2-yl]pentanoic acid Openeye Name: 5-[6-hydroxy-5-(2-isopropyl-5-methyl-phenyl)sulfanyl-4-oxo-2-phenyl-3H-pyran-2-yl]pentanoic acid CAS Name: 5-[6-hydroxy-5-[(5-methyl-2-propan-2-ylphenyl)thio]-4-oxo-2-phenyl-3H-pyran-2-yl]pentanoic acid IUPAC Name: 5-[6-hydroxy-5-(5-methyl-2-propan-2-ylphenyl)sulfanyl-4-oxo-2-phenyl-3H-pyran-2-yl]pentanoic acid Traditional Name: 5-[6-hydroxy-5-[(2-isopropyl-5-methyl-phenyl)thio]-4-keto-2-phenyl-3H-pyran-2-yl]valeric acid Formula: C26H30O5S MolecularWeight: 454.5784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)SC2=C(OC(CC2=O)(CCCCC(=O)O)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)SC2=C(OC(CC2=O)(CCCCC(=O)O)C3=CC=CC=C3)O

InChI

InChI=1S/C26H30O5S/c1-17(2)20-13-12-18(3)15-22(20)32-24-21(27)16-26(31-25(24)30,14-8-7-11-23(28)29)19-9-5-4-6-10-19/h4-6,9-10,12-13,15,17,30H,7-8,11,14,16H2,1-3H3,(H,28,29)